AG01DDW0

2109874-06-6 | 5-((1S)-1-AMINOETHYL)-2-METHYLPHENYLAMINE 2HCL

AG01DDW0

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CAS Number	2109874-06-6
Catalog Number	AG01DDW0
Chemical Name	5-((1S)-1-AMINOETHYL)-2-METHYLPHENYLAMINE 2HCL
IUPAC Name	5-(1-aminoethyl)-2-methylaniline;dihydrochloride
InChI	InChI=1S/C9H14N2.2ClH/c1-6-3-4-8(7(2)10)5-9(6)11;;/h3-5,7H,10-11H2,1-2H3;2*1H
InChI Key	DAIWTRNBZQUMAG-UHFFFAOYSA-N
MDL Number	MFCD31555227
Molecular Formula	C9H16Cl2N2
Molecular Weight	223.1427
SMILES	NC1=CC([C@@H](N)C)=CC=C1C.[H]Cl.[H]Cl
Synonyms	(S)-5-(1-Aminoethyl)-2-methylaniline dihydrochloride, 2109874-06-6, SCHEMBL16370133, AK688647,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.069g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	223.141g/mol
Monoisotopic Mass	222.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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